Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate
TL;DR: Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate (CAS 41892-85-7) is a chemical compound with molecular formula C13H12O4S and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate
Also Known As: dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate, J3.637.104H, AE-473/33977011, Benzo[b]thiophene-2,3-dicarboxylic acid, 5-methyl-, dimethyl ester, 5-Methylbenzo[b]thiophene-2,3-dicarboxylic acid dimethyl ester
| Molecular Formula | C13H12O4S |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 2.78292 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.04562 |
| Heavy Atoms | 18 |
| Complexity | 627.1981 |
Chemical Identifiers
| CAS Number | 41892-85-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(=C2C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate (CAS 41892-85-7), with molecular formula C13H12O4S and molecular weight 264.05 g/mol. IUPAC: dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate
Property Insights of Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate
The XLogP value of 2.78292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate?
The CAS number of Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate is 41892-85-7.
What is the molecular formula of Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate?
The molecular formula of Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate is C13H12O4S.
What is the molecular weight of Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate?
The molecular weight of Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate is 264.05 g/mol.
Where can I buy Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate?
You can request a quote for Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.